Information card for entry 2230830

Structure parameters

• Chemical name: Diazido{(<i>S</i>)-1-phenyl-<i>N</i>,<i>N</i>-bis[(2- pyridyl)methyl]ethanamine}copper(II)
• Formula: C20 H21 Cu N9
• Calculated formula: C20 H21 Cu N9
• SMILES: [Cu]12([n]3ccccc3C[N]1(Cc1[n]2cccc1)[C@H](c1ccccc1)C)(N=N#N)N=N#N
• Title of publication: Diazido{(<i>S</i>)-1-phenyl-<i>N</i>,<i>N</i>-bis[(2-pyridyl)methyl]ethanamine}copper(II)
• Authors of publication: Rowthu, Sankara Rao; Shin, Jong Won; Kim, Seung-Hui; Kim, Jong Jin; Min, Kil Sik
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: m873 - m874
• a: 6.9972 ± 0.0012 Å
• b: 14.506 ± 0.003 Å
• c: 10.2828 ± 0.0017 Å
• α: 90°
• β: 98.413 ± 0.004°
• γ: 90°
• Cell volume: 1032.5 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1135
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes